N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine

C57H39NO — CID 171433107

IUPACN-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5ccccc45)c4c(c3)oc3c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-26-13-12-22-46(51)47-32-31-40(34-52(47)57)58(39-29-27-37(28-30-39)36-15-4-3-5-16-36)41-33-50(43-25-14-18-38-17-6-7-19-42(38)43)54-53(35-41)59-56-49-24-11-9-21-45(49)44-20-8-10-23-48(44)55(54)56/h3-35H,1-2H3
InChIKeyFAPABCZXHOCDIO-UHFFFAOYSA-N
MW753.95 g/mol
LogP16.16
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine

N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine (PubChem CID 171433107) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
PubChem CID171433107
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5ccccc45)c4c(c3)oc3c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-26-13-12-22-46(51)47-32-31-40(34-52(47)57)58(39-29-27-37(28-30-39)36-15-4-3-5-16-36)41-33-50(43-25-14-18-38-17-6-7-19-42(38)43)54-53(35-41)59-56-49-24-11-9-21-45(49)44-20-8-10-23-48(44)55(54)56/h3-35H,1-2H3
InChIKeyFAPABCZXHOCDIO-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-[4-(17-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433488
9,9-dimethyl-N-[4-(19-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433237
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433437
9,9-dimethyl-N-[4-(16-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433044
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433310
N-(9,9-dimethylfluoren-2-yl)-N,19-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433144
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
N-(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433297
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine (CID 171433107) is N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5ccccc45)c4c(c3)oc3c5ccccc5c5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine?
The InChIKey is FAPABCZXHOCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)51-26-13-12-22-46(51)47-32-31-40(34-52(47)57)58(39-29-27-37(28-30-39)36-15-4-3-5-16-36)41-33-50(43-25-14-18-38-17-6-7-19-42(38)43)54-53(35-41)59-56-49-24-11-9-21-45(49)44-20-8-10-23-48(44)55(54)56/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine?
N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine is sourced from PubChem (CID 171433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).